2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine

C16H26N2O2 — CID 79016620

IUPAC2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCC2CCCNC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-19-15-6-5-13(10-16(15)20-2)7-9-18-12-14-4-3-8-17-11-14/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3
InChIKeyICVSYYXVSKOVRO-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.84
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine

2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 79016620) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID79016620
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESCOc1ccc(CCNCC2CCCNC2)cc1OC
InChIInChI=1S/C16H26N2O2/c1-19-15-6-5-13(10-16(15)20-2)7-9-18-12-14-4-3-8-17-11-14/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3
InChIKeyICVSYYXVSKOVRO-UHFFFAOYSA-N
XLogP1.84
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)propanamide
CID 119464205
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208972
2-(3-chloro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208973
N-[(4-methoxy-3-methylphenyl)methyl]-1-piperidin-3-ylmethanamine
CID 115209615
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
2-(3,4-dimethoxyphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43191422
(4R)-N-[2-(3,4-dimethoxyphenyl)ethyl]azepane-4-carboxamide
CID 125447240
2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555516
N-[(3-bromo-4-methoxyphenyl)methyl]-2-piperidin-3-ylethanamine
CID 115211362

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine (CID 79016620) is 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine is COc1ccc(CCNCC2CCCNC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is ICVSYYXVSKOVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-19-15-6-5-13(10-16(15)20-2)7-9-18-12-14-4-3-8-17-11-14/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine?
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 278.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 79016620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).